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5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside

neohesperidin

CAS: 13241-33-3

Molecular Formula: C28H34O15

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5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside - Names and Identifiers

Name neohesperidin
Synonyms neohesperidin
HESPERETIN-7-NEOHESPERIDOSIDE
HESPERETIN-7-O-NEOHESPERIDOSIDE
(s)-a-d-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)
4h-1-benzopyran-4-one,2,3-dihydro-7-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-bet
(S)-4-Methoxy-3,5,7-trihydroxyflavanone-7-[O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-L-mannopyranosyl)-beta-D-glucopyranoside
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
7-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
CAS 13241-33-3
EINECS 236-216-9
InChI InChI=1/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKey ARGKVCXINMKCAZ-RTFRIYMLSA-N

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside - Physico-chemical Properties

Molecular FormulaC28H34O15
Molar Mass610.56
Density1.65±0.1 g/cm3(Predicted)
Melting Point239-243°C
Boling Point933.7±65.0 °C(Predicted)
Specific Rotation(α)-100 (c, 0.5 in Py)
Flash Point306.7°C
Water Solubility3.98mg/L at 20℃
Solubility DMSO (Slightly), Pyridine (Slightly)
Vapor Presure0Pa at 20℃
AppearanceWhite needle crystal
ColorWhite to Off-White
BRN74945
pKa7.14±0.40(Predicted)
Storage ConditionSealed in dry,2-8°C
SensitiveSensitive to light
Refractive Index1.695
MDLMFCD16661259
Physical and Chemical PropertiesWhite powder, soluble in methanol, almost insoluble in ether, derived from fructus aurantii, lime fruit, citrus.
In vitro studyNeohesperidin, a flavonoid glycoside found in citrus fruits, is an antioxidant. Neohesperidin, as an antioxidant, had an IC50 of 22.31 μg/ml in the 1, (DPPH) free radical scavenging test. Neohesperidin (50 mg/kg) significantly inhibited HCl/ethanol-induced gastric injury and increased mucus content. In pylorus-ligated rats, neohesperidin (50 mg/kg) significantly reduced the amount of gastric secretion and gastric acid production, and increased the pH value. In addition, Neohesperidin inhibited the growth of Caco-2,CEM/ADR5000 and CCRF-CEM leukemia cells with IC50 values of 0.17,0.17 and 0.12 mM, respectively.

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside - Risk and Safety

Safety DescriptionS22 - Do not breathe dust.
S24/25 - Avoid contact with skin and eyes.
WGK Germany3
RTECSDJ2981400
FLUKA BRAND F CODES10-21
HS Code29389090
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
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View History
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
115093-90-8
476473-52-6
2-Methyl-5-(methoxycarbonyl)pyridine-3-boronic acid pinacol ester
tert-butyl 3-(acetylthio)azetidine-1-carboxylate
3-Chloro-4,5-diisopropoxyphenylboronic acid
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